BioLiP

PDB

BioLiP

PDB CCD ID:

P6Z

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O

InChI:

InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H

InChIKey:

CGTQCZGDVDTRDI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)n2ccnc2)C=O
CACTVS 3.385	O=Cc1cccc(c1)n2ccnc2

Name:

3-imidazol-1-ylbenzaldehyde

ZINC:

ZINC000020357529

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).